(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

C20H27BrN2O2 — CID 37259528

IUPAC(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27BrN2O2/c21-18-7-4-17(5-8-18)6-9-19(24)22-16-20(10-2-1-3-11-20)23-12-14-25-15-13-23/h4-9H,1-3,10-16H2,(H,22,24)/b9-6+
InChIKeyKDJWZZWNKXNZOJ-RMKNXTFCSA-N
MW407.35 g/mol
LogP3.61
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (PubChem CID 37259528) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
PubChem CID37259528
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27BrN2O2/c21-18-7-4-17(5-8-18)6-9-19(24)22-16-20(10-2-1-3-11-20)23-12-14-25-15-13-23/h4-9H,1-3,10-16H2,(H,22,24)/b9-6+
InChIKeyKDJWZZWNKXNZOJ-RMKNXTFCSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259649
(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
CID 903165
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 46534991
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
CID 56786269
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
CID 39430292
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55451163

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (CID 37259528) is (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The InChIKey is KDJWZZWNKXNZOJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c21-18-7-4-17(5-8-18)6-9-19(24)22-16-20(10-2-1-3-11-20)23-12-14-25-15-13-23/h4-9H,1-3,10-16H2,(H,22,24)/b9-6+.
What are the key properties of (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide has a molecular weight of 407.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 37259528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).